1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C23H28ClN3O3 — CID 72705600

IUPAC1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H28ClN3O3/c1-30-14-11-25-22(28)19-9-12-27(13-10-19)16-17-3-2-4-21(15-17)26-23(29)18-5-7-20(24)8-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyOIUNQSREKLLNDG-UHFFFAOYSA-N
MW429.95 g/mol
LogP3.57
Rot. Bonds8

About 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide

1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 72705600) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID72705600
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C23H28ClN3O3/c1-30-14-11-25-22(28)19-9-12-27(13-10-19)16-17-3-2-4-21(15-17)26-23(29)18-5-7-20(24)8-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyOIUNQSREKLLNDG-UHFFFAOYSA-N
XLogP3.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 72705600) is 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is OIUNQSREKLLNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-30-14-11-25-22(28)19-9-12-27(13-10-19)16-17-3-2-4-21(15-17)26-23(29)18-5-7-20(24)8-6-18/h2-8,15,19H,9-14,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72705600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).